CID 590093

86776-51-4

Structural Information

Molecular Formula
C17H14FNO2
SMILES
CCCC1=CC=C(C=C1)C(=O)OC2=CC(=C(C=C2)C#N)F
InChI
InChI=1S/C17H14FNO2/c1-2-3-12-4-6-13(7-5-12)17(20)21-15-9-8-14(11-19)16(18)10-15/h4-10H,2-3H2,1H3
InChIKey
RDPCRVRASQOZBX-UHFFFAOYSA-N
Compound name
(4-cyano-3-fluorophenyl) 4-propylbenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

172
Patents

283.10086 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.10814 166.6
[M+Na]+ 306.09008 179.9
[M+NH4]+ 301.13468 170.5
[M+K]+ 322.06402 168.9
[M-H]- 282.09358 161.7
[M+Na-2H]- 304.07553 171.3
[M]+ 283.10031 166.3
[M]- 283.10141 166.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe